4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide

C15H16ClN3O2 — CID 81229055

IUPAC4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)c1cnccc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-10(2)21-15-11(4-3-6-18-15)8-19-14(20)12-9-17-7-5-13(12)16/h3-7,9-10H,8H2,1-2H3,(H,19,20)
InChIKeyPDQJJXMAGNUEPA-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.85
Rot. Bonds5

About 4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide

4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 81229055) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID81229055
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)c1cnccc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-10(2)21-15-11(4-3-6-18-15)8-19-14(20)12-9-17-7-5-13(12)16/h3-7,9-10H,8H2,1-2H3,(H,19,20)
InChIKeyPDQJJXMAGNUEPA-UHFFFAOYSA-N
XLogP2.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107249436
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60975328
5-hydroxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 63860474
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
CID 47057623
4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55848317
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946
2,3-dimethyl-4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]but-2-enoic acid
CID 76992706
(2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94171586
5-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 105369277
3-amino-2,2-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 115426650
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 51082279

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 81229055) is 4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide is CC(C)Oc1ncccc1CNC(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is PDQJJXMAGNUEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-10(2)21-15-11(4-3-6-18-15)8-19-14(20)12-9-17-7-5-13(12)16/h3-7,9-10H,8H2,1-2H3,(H,19,20).
What are the key properties of 4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81229055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).